CID 84701377

Tert-butyl n-{6-oxospiro[2.5]octan-1-yl}carbamate

Structural Information

Molecular Formula
C13H21NO3
SMILES
CC(C)(C)OC(=O)NC1CC12CCC(=O)CC2
InChI
InChI=1S/C13H21NO3/c1-12(2,3)17-11(16)14-10-8-13(10)6-4-9(15)5-7-13/h10H,4-8H2,1-3H3,(H,14,16)
InChIKey
KJKFDUASZGJGCD-UHFFFAOYSA-N
Compound name
tert-butyl N-(6-oxospiro[2.5]octan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.15215 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.15943 157.5
[M+Na]+ 262.14137 167.2
[M+NH4]+ 257.18597 166.5
[M+K]+ 278.11531 162.5
[M-H]- 238.14487 165.6
[M+Na-2H]- 260.12682 164.7
[M]+ 239.15160 162.2
[M]- 239.15270 162.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.